Dataset

Disulfiram

This MassBank record with Accession MSBNK-Eawag-EQ01163208 contains the MS2 mass spectrum of Disulfiram with the InChIkey AUZONCFQVSMFAP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
InChI Key AUZONCFQVSMFAP-UHFFFAOYSA-N
Molecular Formula C10H20N2S4
Exact Mass 296.051 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01163208
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:54:20.132178
MetadataModified 2025-02-09T09:54:20.323840
MetadataPublished 2024-01-16
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL27213 SureChEMBL
MCULE-1443050857 Mcule
30096629 NMRShiftDB
disulfiram DailyMed
CB0476519 ChemicalBook
HMDB0014960 Human Metabolome Database
986 Brenda
49442 Brenda
105599 Brenda
135293 Brenda
155379 Brenda
97207 Brenda
3117 PubChem
PD002360 ProbesDrugs
TR3MLJ1UAI FDA SRS
disulfiram Atlas
LSM-5467 LINCS
97-77-8 ACToR
11078-22-1 ACToR
PA449376 PharmGKB
14751553 PubChem: Thomson Pharma
28294932 eMolecules
531942 eMolecules
DB00822 DrugBank
C01692 KEGG Ligand
CHEMBL964 ChEMBL
4659 ChEBI
SAM001247028 NIH Clinical Collection
12707 Brenda
Disulfiram(Antabuse) Selleck
DISULFIRAM DailyMed
50058655 BindingDB
DISULFIRAM rxnorm
ANTABUSE clinicaltrials
DISULFIRAM clinicaltrials
ORA-102 clinicaltrials
ORA102 clinicaltrials
HY-B0240 MedChemExpress
DTXSID1021322 EPA CompTox Dashboard
928 DrugCentral
ZINC000001529266 ZINC
J3.980B Nikkaji
7168 Guide to Pharmacology
ETHUSS CCDC
ANTABUSE rxnorm
The data in this table is sourced from UniChem at EBI.